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{
"id": "jvasp-85921",
"created_at": "2022-09-04T14:35:43.000841Z",
"updated_at": "2022-09-04T14:35:43.000870Z",
"structure_string": "Li3 Ti4 O8\n1.0\n4.924304 0.005371 0.000000\n-0.055348 4.958575 0.000000\n0.000000 0.000000 5.699993\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.500000 0.016274 Li\n0.500000 -0.000000 0.769424 Li\n0.500000 -0.000000 0.262328 Li\n0.499999 0.500000 0.755459 Ti\n0.000000 0.000000 0.515914 Ti\n0.499999 0.500000 0.276423 Ti\n0.000000 0.000000 0.015868 Ti\n0.185206 0.230121 0.772738 O\n0.185175 0.230166 0.259066 O\n0.682460 0.264475 0.015936 O\n0.814792 0.769879 0.772738 O\n0.814824 0.769835 0.259066 O\n0.671037 0.250663 0.515915 O\n0.328962 0.749338 0.515915 O\n0.317539 0.735526 0.015936 O\n",
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"structure_string": "Rb8 Ru4 O16\n1.0\n6.187962 0.000000 0.000000\n0.000000 8.096409 0.000000\n0.000000 0.000000 10.973314\nRb Ru O\n8 4 16\ndirect\n0.250000 0.490650 0.797430 Rb\n0.250000 0.990651 0.702569 Rb\n0.750000 0.009350 0.297430 Rb\n0.750000 0.509350 0.202570 Rb\n0.750000 0.344035 0.582384 Rb\n0.250000 0.655966 0.417616 Rb\n0.750000 0.844035 0.917616 Rb\n0.250000 0.155966 0.082384 Rb\n0.750000 0.780295 0.578274 Ru\n0.750000 0.280295 0.921725 Ru\n0.250000 0.219705 0.421725 Ru\n0.250000 0.719705 0.078274 Ru\n0.515074 0.698365 0.652134 O\n0.984925 0.698365 0.652134 O\n0.484926 0.301635 0.347865 O\n0.484926 0.801635 0.152135 O\n0.984925 0.198365 0.847865 O\n0.015074 0.301635 0.347865 O\n0.250000 -0.000054 0.421008 O\n0.250000 0.305094 0.573300 O\n0.250000 0.499946 0.078992 O\n0.750000 0.500054 0.921008 O\n0.250000 0.805094 0.926700 O\n0.750000 0.194906 0.073300 O\n0.015074 0.801635 0.152135 O\n0.750000 0.694907 0.426700 O\n0.750000 0.000054 0.578992 O\n0.515074 0.198365 0.847865 O\n",
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{
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"created_at": "2022-09-04T14:36:42.191146Z",
"updated_at": "2022-09-04T14:36:42.191160Z",
"structure_string": "Cr1 O2\n1.0\n4.986132 -0.493584 -0.292340\n4.426669 2.347284 -0.292340\n4.426669 0.871762 2.198917\nCr O\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.599982 0.599982 0.599983 O\n0.400017 0.400017 0.400018 O\n",
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},
{
"id": "jvasp-115994",
"created_at": "2022-09-04T14:38:40.463638Z",
"updated_at": "2022-09-04T14:38:40.463650Z",
"structure_string": "Sr1 In1 F1\n1.0\n5.292007 0.000000 0.000000\n-2.646003 4.583012 0.000000\n-0.000000 -0.000000 3.734823\nSr In F\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333334 0.666667 0.000000 In\n0.000000 0.000000 0.000000 F\n",
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{
"id": "jvasp-40913",
"created_at": "2022-09-04T14:37:41.997241Z",
"updated_at": "2022-09-04T14:37:41.997259Z",
"structure_string": "Pm2 Cl4\n1.0\n7.056110 -0.000000 0.000000\n-0.000000 7.056110 0.000000\n0.000000 0.000000 3.547827\nPm Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.279115 0.279115 0.000000 Cl\n0.720885 0.720885 0.000000 Cl\n0.220885 0.779115 0.500000 Cl\n0.779115 0.220885 0.500000 Cl\n",
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{
"id": "jvasp-1972",
"created_at": "2022-09-04T14:35:44.810044Z",
"updated_at": "2022-09-04T14:35:44.810062Z",
"structure_string": "Sr2 N1 Cl1\n1.0\n3.764677 0.011392 6.346890\n1.749431 3.333530 6.346890\n0.018780 0.011392 7.379394\nSr N Cl\n2 1 1\ndirect\n0.769376 0.769375 0.769376 Sr\n0.230624 0.230624 0.230624 Sr\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-10126",
"created_at": "2022-09-04T14:38:12.782973Z",
"updated_at": "2022-09-04T14:38:12.782989Z",
"structure_string": "Rb4 Se6\n1.0\n6.709561 -0.047393 0.000000\n-2.143636 6.358088 -0.000000\n0.000000 -0.000000 7.840402\nRb Se\n4 6\ndirect\n0.419487 0.580513 0.827649 Rb\n0.580513 0.419488 0.327650 Rb\n0.902710 0.097291 0.548025 Rb\n0.097290 0.902710 0.048026 Rb\n0.405892 0.081975 0.676027 Se\n0.594108 0.918026 0.176027 Se\n0.918025 0.594109 0.676027 Se\n0.081974 0.405892 0.176027 Se\n0.788222 0.211779 -0.004730 Se\n0.211778 0.788222 0.495270 Se\n",
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"volume": 333.67485422836006,
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"formula_full": "Rb4 Se6",
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"spacegroup": 36
},
{
"id": "jvasp-52241",
"created_at": "2022-09-04T14:37:03.848658Z",
"updated_at": "2022-09-04T14:37:03.848680Z",
"structure_string": "Li3 Ti4 O8\n1.0\n-1.654697 5.536319 0.000000\n-4.974166 -1.486681 2.475312\n-1.588607 2.540634 5.019694\nLi Ti O\n3 4 8\ndirect\n0.500001 0.500001 0.499999 Li\n0.000000 0.500001 0.499999 Li\n0.000000 0.500000 -0.000000 Li\n0.500001 0.500001 -0.000000 Ti\n0.500000 0.000001 0.499999 Ti\n0.000000 0.000000 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.758223 0.749039 0.992954 O\n0.248821 0.749039 0.992954 O\n0.750165 0.742973 0.499671 O\n0.243139 0.767966 0.513723 O\n0.756862 0.232036 0.486275 O\n0.249837 0.257030 0.500327 O\n0.751180 0.250963 0.007043 O\n0.241778 0.250963 0.007043 O\n",
"nsites": 15,
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{
"id": "jvasp-99571",
"created_at": "2022-09-04T14:36:16.118143Z",
"updated_at": "2022-09-04T14:36:16.118162Z",
"structure_string": "Pm2 Mg4\n1.0\n5.259855 -0.000000 3.036779\n1.753285 4.959039 3.036779\n-0.000000 -0.000000 6.073558\nPm Mg\n2 4\ndirect\n0.750001 0.750000 0.750000 Pm\n0.500001 0.500000 0.500000 Pm\n0.125000 0.125000 0.125000 Mg\n0.625001 0.125000 0.125000 Mg\n0.125001 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
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{
"id": "jvasp-123679",
"created_at": "2022-09-04T14:38:52.730505Z",
"updated_at": "2022-09-04T14:38:52.730531Z",
"structure_string": "Mg1 Se2\n1.0\n1.793342 -3.568046 -0.785312\n2.193349 3.798990 -0.000000\n-0.877633 0.506701 5.331486\nMg Se\n1 2\ndirect\n0.000000 0.333348 0.166667 Mg\n0.877341 0.771996 0.421616 Se\n0.122662 -0.105343 0.911719 Se\n",
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{
"id": "jvasp-55807",
"created_at": "2022-09-04T14:38:36.256052Z",
"updated_at": "2022-09-04T14:38:36.256087Z",
"structure_string": "Mn4 Se4 O16\n1.0\n5.008403 -0.000000 0.000000\n-0.000000 6.903886 0.000000\n0.000000 0.000000 9.366667\nMn Se O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.520285 0.750000 0.181354 Se\n0.020286 0.250000 0.318646 Se\n0.479714 0.250000 0.818646 Se\n0.979714 0.750000 0.681355 Se\n0.056236 0.250000 0.136818 O\n0.943763 0.750000 0.863182 O\n0.300235 0.750000 0.623262 O\n0.800235 0.250000 0.876739 O\n0.699764 0.250000 0.376738 O\n0.199764 0.750000 0.123262 O\n0.667609 0.952136 0.124530 O\n0.332391 0.047865 0.875471 O\n0.332391 0.452135 0.875471 O\n0.832390 0.547865 0.624530 O\n0.443763 0.250000 0.636818 O\n0.832390 0.952136 0.624530 O\n0.667609 0.547865 0.124530 O\n0.167609 0.452135 0.375471 O\n0.167609 0.047865 0.375471 O\n0.556236 0.750000 0.363182 O\n",
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{
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"created_at": "2022-09-04T14:35:58.981717Z",
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"structure_string": "Na2 Nb6 O16\n1.0\n3.830999 -0.000000 0.000000\n0.000000 8.908429 0.000000\n0.000000 0.000000 10.303409\nNa Nb O\n2 6 16\ndirect\n0.750000 0.250000 0.928697 Na\n0.250000 0.750000 0.071303 Na\n0.250000 0.250000 0.480211 Nb\n0.750000 0.750000 0.519789 Nb\n0.750000 0.056181 0.247596 Nb\n0.250000 0.556181 0.752404 Nb\n0.250000 0.943819 0.752404 Nb\n0.750000 0.443819 0.247596 Nb\n0.250000 0.089748 0.302076 O\n0.750000 0.910252 0.697924 O\n0.250000 0.420036 0.879794 O\n0.750000 0.250000 0.421283 O\n0.750000 0.250000 0.152006 O\n0.750000 0.591612 0.404896 O\n0.750000 0.579964 0.120206 O\n0.250000 0.091612 0.595104 O\n0.250000 0.750000 0.847994 O\n0.250000 0.750000 0.578717 O\n0.250000 0.079964 0.879794 O\n0.750000 0.589748 0.697924 O\n0.250000 0.408388 0.595104 O\n0.750000 0.920036 0.120206 O\n0.750000 0.908388 0.404896 O\n0.250000 0.410252 0.302076 O\n",
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}